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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | DNA Gyrase | ||
| Syringe Reactant: | BDBM282 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 03/31/03 | ||
| ΔG°: | -42.7±0.5 (kJ/mole) | ||
| pH: | 7.5±n/a | ||
| Log10Kb: | 7.45± 6.90 | ||
| Temperature: | 298.15±n/a (K) | ||
| ΔH° : | -51.8±4.20 (kJ/mole) | ||
| ΔHobs : | -51.8±4.20 (kJ/mole) | ||
| Ionic Strength: | n/a | ||
| not known | |||
| Protons Released: | n/a | ||
| ΔCp : | -1.23±n/a (kJ/mole) | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | -0.0305±0.0130 (kJ/mole-K) | ||
| Comments: | n/a | ||
| Citation |  Lafitte, D; Lamour, V; Tsvetkov, PO; Makarov, AA; Klich, M; Deprez, P; Moras, D; Briand, C; Gilli, R DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose. Biochemistry41:7217-23 (2002) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| DNA Gyrase | |||
| Source: | Bacterial clone | ||
| Purity: | 97% | ||
| Prep. Method: | n/a | ||
| Name: | DNA gyrase subunit B | ||
| Synonyms: | gyrB | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 89941.28 | ||
| Organism: | Escherichia coli | ||
| Description: | C3SLN3 | ||
| Residue: | 804 | ||
| Sequence: |
| ||
| BDBM282 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM282 | ||
| Synonyms: | (3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-8-methyl-4-oxo-4H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl carbamate | Coumarin-Based, DNA Gyrase Inhibitor | Novobiocin | US20230364057, Compound Novobiocin | ||
| Type | Antibiotic | ||
| Emp. Form. | C31H36N2O11 | ||
| Mol. Mass. | 612.6243 | ||
| SMILES | [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| | ||
| Structure | 
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